N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide

C13H29NO2S — CID 18736106

IUPACN-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CCC
InChIInChI=1S/C13H29NO2S/c1-6-8-10-14(11-9-13(3,4)5)17(15,16)12-7-2/h6-12H2,1-5H3
InChIKeyDYDCEPSVHAXXHN-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.26
Rot. Bonds8

About N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide

N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide (PubChem CID 18736106) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide
PubChem CID18736106
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CCC
InChIInChI=1S/C13H29NO2S/c1-6-8-10-14(11-9-13(3,4)5)17(15,16)12-7-2/h6-12H2,1-5H3
InChIKeyDYDCEPSVHAXXHN-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide?
The IUPAC name of N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide (CID 18736106) is N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide is CCCCN(CCC(C)(C)C)S(=O)(=O)CCC.
What is the InChIKey of N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide?
The InChIKey is DYDCEPSVHAXXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-6-8-10-14(11-9-13(3,4)5)17(15,16)12-7-2/h6-12H2,1-5H3.
What are the key properties of N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide?
N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,3-dimethylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 18736106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).